SCHEMBL13284186

SCHEMBL13284186

COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c3ccc(OS(C)(=O)=O)cc3n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
P2RX3 P56373 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPK8 P45983 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL110219 0.95 P2RX3 (0.39) PPARGGAAHPGDP2RX3CA12
SCHEMBL143937 0.95 PPARG (0.44) PPARGGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL139706 0.83 JAK2 (0.38) PPARGGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL110216 0.76 JAK2 (0.39) ALDH1A1P2RX3
SCHEMBL141523 0.74 PLA2G2A (0.47) KDM4EALDH1A1P2RX3PLA2G2A
SCHEMBL143205 0.73 PLA2G2A (0.49) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL142075 0.71 PLA2G2A (0.46) PTGS2KDM4EALDH1A1GLAGAA
SCHEMBL144379 0.71 JAK2 (0.51) KDM4EALDH1A1GAAHPGDCA12
SCHEMBL178706 0.71 CACNA1H (0.44) PPARGPTGS2KDM4EALDH1A1GLA
SCHEMBL110879 0.70 PLA2G2A (0.53) MAPK8PLA2G2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed